REMARK Name = BDB038531 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.518 -0.343 1.010 0.00 0.00 -0.029 A ATOM 2 C LIG 1 3.626 -0.609 -0.378 0.00 0.00 +0.018 A ATOM 3 C LIG 1 2.512 -0.554 -1.238 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.286 -0.226 -0.669 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.059 -0.082 -1.309 0.00 0.00 +0.151 C ATOM 6 N LIG 1 -0.920 0.244 -0.185 0.00 0.00 -0.248 N ATOM 7 C LIG 1 -0.217 0.353 1.006 0.00 0.00 +0.253 C ATOM 8 O LIG 1 -0.580 0.665 2.123 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.183 0.033 0.695 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.268 -0.013 1.551 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.295 0.449 -0.394 0.00 0.00 +0.129 A ATOM 12 N LIG 1 -2.718 0.417 -1.681 0.00 0.00 -0.236 NA ATOM 13 C LIG 1 -4.021 0.646 -1.969 0.00 0.00 +0.047 A ATOM 14 C LIG 1 -4.942 0.892 -0.956 0.00 0.00 +0.032 A ATOM 15 C LIG 1 -4.536 0.874 0.382 0.00 0.00 -0.012 A ATOM 16 C LIG 1 -3.179 0.665 0.653 0.00 0.00 +0.052 A BRANCH 15 17 ATOM 17 C LIG 1 -5.511 1.075 1.470 0.00 0.00 -0.007 A ATOM 18 C LIG 1 -5.794 0.088 2.446 0.00 0.00 +0.028 A ATOM 19 C LIG 1 -6.693 0.377 3.490 0.00 0.00 +0.031 A ATOM 20 C LIG 1 -7.336 1.615 3.564 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -7.079 2.583 2.592 0.00 0.00 +0.019 A ATOM 22 C LIG 1 -6.174 2.315 1.561 0.00 0.00 +0.010 A BRANCH 18 23 ATOM 23 C LIG 1 -5.169 -1.235 2.453 0.00 0.00 +0.164 A ATOM 24 N LIG 1 -5.308 -2.220 1.506 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -6.141 -2.227 0.334 0.00 0.00 +0.152 C ATOM 26 C LIG 1 -4.548 -3.268 1.927 0.00 0.00 +0.225 A ATOM 27 N LIG 1 -4.010 -2.981 3.087 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -4.413 -1.712 3.427 0.00 0.00 -0.129 NA ENDBRANCH 18 23 BRANCH 20 29 ATOM 29 C LIG 1 -8.259 1.888 4.626 0.00 0.00 +0.099 C ATOM 30 N LIG 1 -9.021 2.111 5.472 0.00 0.00 -0.191 NA ENDBRANCH 20 29 ENDBRANCH 15 17 BRANCH 13 31 ATOM 31 C LIG 1 -4.439 0.640 -3.420 0.00 0.00 +0.038 C ATOM 32 C LIG 1 -5.569 -0.239 -3.903 0.00 0.00 +0.010 C ATOM 33 C LIG 1 -4.157 -0.580 -4.268 0.00 0.00 +0.010 C ENDBRANCH 13 31 ENDBRANCH 6 11 BRANCH 3 34 ATOM 34 C LIG 1 2.634 -0.843 -2.709 0.00 0.00 +0.418 C ATOM 35 F LIG 1 2.206 0.196 -3.477 0.00 0.00 -0.166 F ATOM 36 F LIG 1 3.906 -1.111 -3.113 0.00 0.00 -0.166 F ATOM 37 F LIG 1 1.886 -1.916 -3.085 0.00 0.00 -0.166 F ENDBRANCH 3 34 BRANCH 1 38 ATOM 38 C LIG 1 4.747 -0.384 1.894 0.00 0.00 +0.145 C BRANCH 38 40 ATOM 39 C LIG 1 5.047 2.006 2.531 0.00 0.00 +0.136 C ATOM 40 N LIG 1 5.534 0.842 1.811 0.00 0.00 -0.266 N ATOM 41 C LIG 1 6.587 1.001 0.925 0.00 0.00 +0.403 C ATOM 42 O LIG 1 7.174 2.060 0.751 0.00 0.00 -0.226 OA BRANCH 41 43 ATOM 43 O LIG 1 6.885 -0.151 0.268 0.00 0.00 -0.445 OA BRANCH 43 44 ATOM 44 C LIG 1 7.933 -0.196 -0.734 0.00 0.00 +0.107 C ATOM 45 C LIG 1 7.931 -1.650 -1.230 0.00 0.00 +0.055 C ATOM 46 C LIG 1 7.611 0.722 -1.919 0.00 0.00 +0.055 C ATOM 47 C LIG 1 9.305 0.110 -0.124 0.00 0.00 +0.055 C ENDBRANCH 43 44 ENDBRANCH 41 43 ENDBRANCH 38 40 ENDBRANCH 1 38 TORSDOF 10